N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide

C12H19N3O2S — CID 119892435

IUPACN-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide
SMILESCCC(C)(NC(=O)C1CNCCO1)c1nccs1
InChIInChI=1S/C12H19N3O2S/c1-3-12(2,11-14-5-7-18-11)15-10(16)9-8-13-4-6-17-9/h5,7,9,13H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyJTPDYKPVOAMSIS-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.87
Rot. Bonds4

About N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide

N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide (PubChem CID 119892435) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide
PubChem CID119892435
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide
SMILESCCC(C)(NC(=O)C1CNCCO1)c1nccs1
InChIInChI=1S/C12H19N3O2S/c1-3-12(2,11-14-5-7-18-11)15-10(16)9-8-13-4-6-17-9/h5,7,9,13H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeyJTPDYKPVOAMSIS-UHFFFAOYSA-N
XLogP0.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide;hydrochloride
CID 130747951
N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride
CID 119858588
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 120942262
3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
CID 119892416
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-2-carboxamide
CID 107865565
N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119757947
N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide
CID 110471917
(2R)-N-(2-quinolin-4-ylpropan-2-yl)morpholine-2-carboxamide
CID 121346616
N-(2-methyl-2-thiophen-2-ylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119787672
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119774356
N-(1-amino-1-oxo-2-phenylpropan-2-yl)morpholine-2-carboxamide;hydrochloride
CID 119760753
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119886495

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide (CID 119892435) is N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide is CCC(C)(NC(=O)C1CNCCO1)c1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide?
The InChIKey is JTPDYKPVOAMSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-12(2,11-14-5-7-18-11)15-10(16)9-8-13-4-6-17-9/h5,7,9,13H,3-4,6,8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide?
N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 119892435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).